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2,16-Dioxa-6,9,20,23-tetraazatricyclo[24.2.2.2(12,15)]dotriaconta-12,14,26,28,29,31-hexaene-5,8,19,22-tetrone, 7,21-bis(2-methylpropyl)-, [7S-(7R*,21R*)]-
SpectraBase Compound ID 1Bd0jlHo3AV
InChI InChI=1S/C34H48N4O6/c1-23(2)21-29-33(41)35-17-13-25-5-9-28(10-6-25)44-20-16-32(40)38-30(22-24(3)4)34(42)36-18-14-26-7-11-27(12-8-26)43-19-15-31(39)37-29/h5-12,23-24,29-30H,13-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)/t29-,30-/m0/s1
InChIKey LZNQUDOXTUSVEA-KYJUHHDHSA-N
Mol Weight 608.8 g/mol
Molecular Formula C34H48N4O6
Exact Mass 608.357385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAqkaAgaBHK
Name 2,16-Dioxa-6,9,20,23-tetraazatricyclo[24.2.2.2(12,15)]dotriaconta-12,14,26,28,29,31-hexaene-5,8,19,22-tetrone, 7,21-bis(2-methylpropyl)-, [7S-(7R*,21R*)]-
CAS Registry Number 68898-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48N4O6
InChI InChI=1S/C34H48N4O6/c1-23(2)21-29-33(41)35-17-13-25-5-9-28(10-6-25)44-20-16-32(40)38-30(22-24(3)4)34(42)36-18-14-26-7-11-27(12-8-26)43-19-15-31(39)37-29/h5-12,23-24,29-30H,13-22H2,1-4H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)/t29-,30-/m0/s1
InChIKey LZNQUDOXTUSVEA-KYJUHHDHSA-N
Molecular Weight 608.780 g/mol
SMILES N1C(CCOc2ccc(CCNC([C@@](NC(CCOc3ccc(CCNC([C@@]1(CC(C)C)[H])=O)cc3)=O)(CC(C)C)[H])=O)cc2)=O
SPLASH splash10-0f79-9006000000-8194f873c2e86fe62d19
Source of Spectrum C-100-8209-0
Synonyms (7S,21S)-7,21-diisobutyl-2,16-dioxa-6,9,20,23-tetraazatricyclo[24.2.2.2(12,15)]dotriaconta-1(28),12,14,26,29,31-hexaene-5,8,19,22-tetrone Cyclo-(3-(4-.beta.-aminoethyl)phenoxypropanoyl-L-leucyl)2
Wiley ID 1410752